4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine

C27H25FN4O2 — CID 50939340

IUPAC4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CCOc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C27H25FN4O2/c1-18-26(22-4-2-3-9-29-22)30-23-16-19(28)5-7-21(23)27(18)32-12-15-34-25-8-6-20(17-24(25)32)31-10-13-33-14-11-31/h2-9,16-17H,10-15H2,1H3
InChIKeyDIKZJMDDVRQPHU-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.11
Rot. Bonds3

About 4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine

4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 50939340) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID50939340
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC Name4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CCOc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C27H25FN4O2/c1-18-26(22-4-2-3-9-29-22)30-23-16-19(28)5-7-21(23)27(18)32-12-15-34-25-8-6-20(17-24(25)32)31-10-13-33-14-11-31/h2-9,16-17H,10-15H2,1H3
InChIKeyDIKZJMDDVRQPHU-UHFFFAOYSA-N
XLogP5.11
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine (CID 50939340) is 4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CCOc2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is DIKZJMDDVRQPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-18-26(22-4-2-3-9-29-22)30-23-16-19(28)5-7-21(23)27(18)32-12-15-34-25-8-6-20(17-24(25)32)31-10-13-33-14-11-31/h2-9,16-17H,10-15H2,1H3.
What are the key properties of 4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 456.52 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 50939340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).